Recent advances in the chemistry of hydrogen trioxide (HOOOH)

J Cerkovnik, B Plesnicar - Chemical Reviews, 2013 - ACS Publications
The chemistry of organic polyoxides (ROOOH, alkyl hydrotrioxides; ROOOR, dialkyl
trioxides) has been reviewed rather exhaustively. 1 However, only small parts of these …

Weakly bound molecules in the atmosphere: a case study of HOOO

C Murray, EL Derro, TD Sechler… - Accounts of chemical …, 2009 - ACS Publications
Weakly bound molecules particularly hydrated complexes of abundant atmospheric
species have long been postulated to play an important role in atmospherically relevant …

Theoretical Investigations of Rate Coefficients for H + O3 and HO2 + O Reactions on a Full-Dimensional Potential Energy Surface

J Zuo, Q Chen, X Hu, H Guo, D Xie - The Journal of Physical …, 2020 - ACS Publications
In this work, a machine learning method is used to construct a high-fidelity multichannel
global reactive potential energy surface (PES) for the HO3 system from 21452 high-level ab …

Experimental and theoretical investigation of benzothiazole oxidation by OH in air and the role of O 2

NV Karimova, W Wang, RB Gerber… - … Science: Processes & …, 2024 - pubs.rsc.org
Benzothiazole (BTH) and its derivatives are amongst a group of emerging contaminants that
are widely distributed in the environment due to their extensive use in many different …

Dissociation energy of the HOOO radical

ME Varner, ME Harding, J Vázquez… - The Journal of …, 2009 - ACS Publications
The dissociation of the hydrotrioxy (HOOO) radical to OH and O2 has been studied
theoretically using coupled-cluster methods. The calculated dissociation energy for the trans …

Infrared spectroscopy of HOOO and DOOO in 4He nanodroplets

PL Raston, T Liang, GE Douberly - The Journal of chemical physics, 2012 - pubs.aip.org
The HOOO hydridotrioxygen radical and its deuterated analog (DOOO) have been isolated
in helium nanodroplets following the in situ association reaction between OH and O 2. The …

On the Dissociation of Ground State trans-HOOO Radical: A Theoretical Study

JM Anglada, S Olivella, A Solé - Journal of Chemical Theory and …, 2010 - ACS Publications
The hydrotrioxyl radical (HOOO•) plays a crucial role in atmospheric processes involving the
hydroxyl radical (HO•) and molecular oxygen (O2). The equilibrium geometry of the …

On the molecular structure of HOOO

MC McCarthy, V Lattanzi, D Kokkin… - The Journal of …, 2012 - pubs.aip.org
The molecular structure of trans, planar hydridotrioxygen (HOOO) has been examined by
means of isotopic spectroscopy using Fourier transform microwave as well as microwave …

Is HO 3 minimum cis or trans? An analytic full-dimensional ab initio isomerization path

AJC Varandas - Physical Chemistry Chemical Physics, 2011 - pubs.rsc.org
The minimum energy path for isomerization of HO3 has been explored in detail using
accurate high-level ab initio methods and techniques for extrapolation to the complete basis …

Weakly Bound Clusters in Astrochemistry? Millimeter and Submillimeter Spectroscopy of trans-HO3 and Comparison to Astronomical Observations

L Zou, BM Hays, SLW Weaver - The Journal of Physical Chemistry …, 2016 - ACS Publications
The emergence of chemical complexity during star and planet formation is largely guided by
the chemistry of unstable molecules that are reaction intermediates in terrestrial chemistry …